REMARK  Name = BDB016673
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.342  -1.274  -1.084  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1       -1.187  -1.692   0.251  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1        0.061  -1.534   0.867  0.00  0.00    +0.067 A 
ATOM      4  C   LIG    1        1.167  -0.991   0.225  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1        2.205  -1.007   1.209  0.00  0.00    +0.093 A 
ATOM      6  N   LIG    1        1.780  -1.555   2.357  0.00  0.00    -0.173 NA
ATOM      7  C   LIG    1        1.027  -0.611  -1.123  0.00  0.00    +0.012 A 
ATOM      8  N   LIG    1        0.491  -1.844   2.126  0.00  0.00    -0.276 N 
ATOM      9  H   LIG    1       -0.048  -2.264   2.875  0.00  0.00    +0.189 HD
ATOM     10  C   LIG    1       -0.220  -0.759  -1.752  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1  14
ATOM     11  O   LIG    1       -5.599  -2.248  -2.105  0.00  0.00    -0.274 OA
ATOM     12  C   LIG    1       -5.245  -1.392  -1.312  0.00  0.00    +0.228 C 
ATOM     13  C   LIG    1       -3.913  -0.678  -1.332  0.00  0.00    +0.081 C 
ATOM     14  C   LIG    1       -2.674  -1.426  -1.782  0.00  0.00    +0.040 C 
ATOM     15  C   LIG    1       -3.244  -0.300  -2.622  0.00  0.00    +0.031 C 
ATOM     16  C   LIG    1       -3.994   0.278  -0.175  0.00  0.00    -0.011 A 
ATOM     17  C   LIG    1       -5.242   0.094   0.443  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1       -5.660   0.812   1.545  0.00  0.00    +0.023 A 
ATOM     19  C   LIG    1       -4.781   1.768   2.052  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -3.528   1.982   1.450  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -3.133   1.240   0.330  0.00  0.00    +0.006 A 
ATOM     22  N   LIG    1       -5.959  -0.893  -0.237  0.00  0.00    -0.284 N 
ATOM     23  H   LIG    1       -6.890  -1.204  -0.009  0.00  0.00    +0.155 HD
ENDBRANCH   1  14
BRANCH   5  24
ATOM     24  C   LIG    1        3.557  -0.550   1.072  0.00  0.00    +0.031 C 
ATOM     25  C   LIG    1        3.987   0.463   0.302  0.00  0.00    +0.010 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.390   0.895   0.226  0.00  0.00    -0.022 A 
ATOM     27  C   LIG    1        6.214   0.961   1.351  0.00  0.00    +0.027 A 
ATOM     28  C   LIG    1        7.516   1.410   1.195  0.00  0.00    +0.111 A 
ATOM     29  N   LIG    1        8.040   1.800   0.014  0.00  0.00    -0.263 NA
ATOM     30  C   LIG    1        7.222   1.742  -1.058  0.00  0.00    +0.111 A 
ATOM     31  C   LIG    1        5.907   1.310  -1.002  0.00  0.00    +0.027 A 
ENDBRANCH  25  26
ENDBRANCH   5  24
TORSDOF 3